SCHEMBL13865871

SCHEMBL13865871

COc1ccc(S(=O)(=O)N2CCCC(c3nc4c(c(C)nn4-c4ccccc4)c(=O)[nH]3)C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KHK P50053 5/20 0.61
MAPT P10636 1/20 0.50
ALDH1A1 P00352 5/20 0.49
USP2 O75604 4/20 0.49
HPGD P15428 4/20 0.49
MAPK1 P28482 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HSD17B10 Q99714 1/20 0.49
TSHR P16473 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
SCN9A Q15858 1/20 0.46
POLB P06746 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
LMNA P02545 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13865852 0.86 POLB (0.47) KHKMAPTALDH1A1USP2HPGD
SCHEMBL13865819 0.85 POLB (0.46) KHKMAPTALDH1A1USP2HPGD
SCHEMBL13865802 0.85 ALDH1A1 (0.50) MAPTALDH1A1USP2HPGDMAPK1
SCHEMBL13865935 0.84 POLB (0.49) KHKMAPTALDH1A1USP2HPGD
SCHEMBL13865924 0.80 MAPT (0.56) KHKMAPTALDH1A1USP2HPGD
SCHEMBL13865884 0.78 KHK (0.60) KHKMAPTALDH1A1HPGDMAPK1
SCHEMBL13865894 0.76 KHK (0.62) KHKALDH1A1USP2HPGDMAPK1
SCHEMBL13865888 0.76 POLB (0.55) KHKMAPTALDH1A1USP2HPGD
Hydrochloric Acid SCHEMBL2551537 0.75 KHK (0.98) KHKALDH1A1HPGDHTTCCNE1
SCHEMBL4513638 0.75 TYK2 (0.47) MAPTALDH1A1USP2HPGDMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B KHK 3420/4885MAPT 4149/4885ALDH1A1 240/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.